Claude Skills · DevOps & Infrastructure
Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.
At a glance
This skill is for DevOps & Infrastructure and helps you set up cloud-native molecular modeling workflows, run batch screening on molecular compounds, and automate multi-step chemistry pipelines.
git clone --depth 1 https://github.com/K-Dense-AI/drug-discovery-agent-skills
cp -r drug-discovery-agent-skills/skills/rowan ~/.claude/skills/rowan
Molecular ModelingMedicinal ChemistryPython Apicloud-nativeHpcgpu
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